N-[(6aS,8S)-6,12-bis(oxidanylidene)-2-thiophen-2-yl-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-2-(methylamino)ethanamide

Systemtic Name: N-[(6aS,8S)-6,12-bis(oxidanylidene)-2-thiophen-2-yl-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-2-(methylamino)ethanamide Openeye Name: N-[(6aS,8S)-6,12-dioxo-2-(2-thienyl)-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-2-(methylamino)acetamide CAS Name: N-[(6aS,8S)-6,12-dioxo-2-thiophen-2-yl-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-2-(methylamino)acetamide IUPAC Name: N-[(6aS,8S)-6,12-dioxo-2-thiophen-2-yl-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-2-(methylamino)acetamide Traditional Name: N-[(6aS,8S)-6,12-diketo-2-(2-thienyl)-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-2-(methylamino)acetamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(=O)NC1CCN2C(C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CS4

Isomeric SMILES

CNCC(=O)N[C@H]1CCN2[C@@H](C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CS4

InChI

InChI=1S/C20H22N4O3S/c1-21-11-18(25)22-13-6-7-24-16(10-13)19(26)23-15-5-4-12(9-14(15)20(24)27)17-3-2-8-28-17/h2-5,8-9,13,16,21H,6-7,10-11H2,1H3,(H,22,25)(H,23,26)/t13-,16-/m0/s1